N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C19H19F2NO2S — CID 135018513

IUPACN-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccs2)C2=CCC(F)(F)CC2)cc1
InChIInChI=1S/C19H19F2NO2S/c1-24-16-6-4-14(5-7-16)13-22(18(23)17-3-2-12-25-17)15-8-10-19(20,21)11-9-15/h2-8,12H,9-11,13H2,1H3
InChIKeyBUBAABIHUVMDJU-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.10
Rot. Bonds5

About N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 135018513) has the molecular formula C19H19F2NO2S and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID135018513
Molecular FormulaC19H19F2NO2S
Molecular Weight363.43 g/mol
Exact Mass363.11
IUPAC NameN-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccs2)C2=CCC(F)(F)CC2)cc1
InChIInChI=1S/C19H19F2NO2S/c1-24-16-6-4-14(5-7-16)13-22(18(23)17-3-2-12-25-17)15-8-10-19(20,21)11-9-15/h2-8,12H,9-11,13H2,1H3
InChIKeyBUBAABIHUVMDJU-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 135018513) is N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CN(C(=O)c2cccs2)C2=CCC(F)(F)CC2)cc1.
What is the InChIKey of N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is BUBAABIHUVMDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2S/c1-24-16-6-4-14(5-7-16)13-22(18(23)17-3-2-12-25-17)15-8-10-19(20,21)11-9-15/h2-8,12H,9-11,13H2,1H3.
What are the key properties of N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135018513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).